Universal moiré buckling of freestanding 2D bilayers

• Published in: Proceedings of the National Academy of Sciences - PNAS Vol. 121; no. 49; p. 1
• Main Authors: Wang, Jin, Tosatti, Erio
• Format: Journal Article
• Language: English
• Published: Washington National Academy of Sciences 03.12.2024
• Subjects: Bilayers; Buckling; Compressive properties; Graphene; Impurities; Membranes; Molybdenum disulfide; Multilayers; Phase transitions; Room temperature; Substrates; Two dimensional materials
• ISSN: 0027-8424; 1091-6490
• DOI: 10.1073/pnas.241839012

The physics of membranes, a classic subject, acquires new momentum from two-dimensional (2D) materials multilayers. This work reports the surprising results emerged during a theoretical study of equilibrium geometry of bilayers as freestanding membranes. While ordinary membranes are prone to buckle around compressive impurities, we predict that all 2D material freestanding bilayers universally undergo, even if impurity-free, a spontaneous out-of-plane buckling. The moiré network nodes here play the role of internal impurities, the dislocations that join them giving rise to a stress pattern, purely shear in homobilayers and mixed compressive/shear in heterobilayers. That intrinsic stress is, theory and simulations show, generally capable to cause all freestanding 2D bilayers to undergo distortive bucklings with large amplitudes and a rich predicted phase transition scenario. Realistic simulations predict quantitative parameters expected for these phenomena as expected in heterobilayers such as graphene/hBN, WS2/WSe2 heterobilayers, and for twisted homobilayers such as graphene, hBN, MoS2. Buckling then entails a variety of predicted consequences. Mechanically, a critical drop of bending stiffness is expected at all buckling transitions. Thermally, the average buckling corrugation decreases with temperature, with buckling-unbuckling phase transitions expected in some cases, and the buckled state often persisting even above room temperature. Buckling will be suppressed by deposition on hard attractive substrates, and survives in reduced form on soft ones. Frictional, electronic, and other associated phenomena are also highlighted. The universality and richness of these predicted phenomena strongly encourages an experimental search, which is possible but still missing.